mod_epotinb_kkrimp Module
- B. Drittler
-
- 79 statements
- Source File
Calculate the energy of the input potential: Int V(r) rho(r) d^3r
Subroutines
public subroutine EPOTINB(EPOTIN, NSPIN, NATOM, VM2Z, INS, LMAXATOM, ZATOM, CELL, DENSITY, IPAND, IRMD, LPOTD)
- Author
- B. Drittler
- License
- Category
- KKRimp, total-energy
Calculates energy of the input potential
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | EPOTIN(NATOM) | ||||
| integer | :: | NSPIN | ||||
| integer | :: | NATOM | ||||
| double precision | :: | VM2Z(IRMD,(LPOTD+1)**2,NSPIN,NATOM) | ||||
| integer | :: | INS | ||||
| integer | :: | LMAXATOM(NATOM) | ||||
| double precision | :: | ZATOM(NATOM) | ||||
| type(CELL_TYPE) | :: | CELL(NATOM) | ||||
| type(DENSITY_TYPE) | :: | DENSITY(NATOM) | ||||
| integer | :: | IPAND | ||||
| integer | :: | IRMD | ||||
| integer | :: | LPOTD |